2-(heptan-2-ylamino)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(heptan-2-ylamino)-5-nitro-benzenecarbonitrile Openeye Name: 2-(1-methylhexylamino)-5-nitro-benzonitrile CAS Name: 2-(heptan-2-ylamino)-5-nitrobenzonitrile IUPAC Name: 2-(heptan-2-ylamino)-5-nitrobenzonitrile Traditional Name: 2-(1-methylhexylamino)-5-nitro-benzonitrile Formula: C14H19N3O2 MolecularWeight: 261.31956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCCC(C)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H19N3O2/c1-3-4-5-6-11(2)16-14-8-7-13(17(18)19)9-12(14)10-15/h7-9,11,16H,3-6H2,1-2H3